2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid

C12H20N4O2 — CID 82225934

IUPAC2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)n1nnnc1C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-8(2)10(12(17)18)16-11(13-14-15-16)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAYTKOMDLRAXJRX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.00
Rot. Bonds4

About 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid

2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid (PubChem CID 82225934) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid
PubChem CID82225934
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)n1nnnc1C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-8(2)10(12(17)18)16-11(13-14-15-16)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAYTKOMDLRAXJRX-UHFFFAOYSA-N
XLogP2.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid (CID 82225934) is 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid is CC(C)C(C(=O)O)n1nnnc1C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid?
The InChIKey is AYTKOMDLRAXJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)10(12(17)18)16-11(13-14-15-16)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid?
2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid has a molecular weight of 252.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 82225934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).